An open position for a software engineer/data scientist is available at EPFL (Lausanne, Switzerland) in the group of Prof. Nicola Marzari and in synergy with the MARVEL NCCR (http://marvel-nccr.ch). The position is funded through a partnership with ChemAlive (http://www.chemalive.com), a company hosted at EPFL Innovation Park, and the Swiss Commission for Technology and Innovation, through a project grant.

The primary goal of the current 1.5-year project is to integrate the AiiDA (www.aiida.net) platform into the ChemAlive interface. This will entail coding plugins for common open-source quantum chemistry packages (NWchem, CP2K) and re-coding and further development of workflows developed by ChemAlive into the workflow engine of AiiDA to accomplish complex automation routines using a Python scripting environment.

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July 19, 2017 Comments Off on MaX prize for flagship codes application

MaX – Materials at the Exascale aims at enabling advancements in materials research via high-performance and high-throughput computing towards the exascale. Its activities are largely centered on frontier developments and applications of four MaX flagship codes, Quantum ESPRESSO, SIESTA, Fleur, Yambo, and the workflow manager, AiiDA.

With this call, MaX establishes a prize to recognize frontier research, performed anywhere in the world, that is enabled by Quantum ESPRESSO, SIESTA, Fleur, Yambo, Aiida, and/or contributes to their advancement. For more information, please visit http://www.max-centre.eu/2017/07/18/prize/